1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1-phenylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1-phenylpyrazol-4-yl)methyl]thiourea CAS Name: 1-methyl-3-[3-(4-morpholin-4-iumyl)propyl]-1-[(1-phenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1-phenylpyrazol-4-yl)methyl]thiourea Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C19H27N5OS/c1-22(19(26)20-8-5-9-23-10-12-25-13-11-23)15-17-14-21-24(16-17)18-6-3-2-4-7-18/h2-4,6-7,14,16H,5,8-13,15H2,1H3,(H,20,26)/p+1